CID 9861019

128018-44-0

Structural Information

Molecular Formula
C18H19NO3
SMILES
C1[C@@H](O1)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C18H19NO3/c20-18(22-12-15-9-5-2-6-10-15)19-16(17-13-21-17)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,19,20)/t16-,17+/m0/s1
InChIKey
DURMMNMFHRIMJD-DLBZAZTESA-N
Compound name
benzyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

489
Patents

297.1365 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14378 165.2
[M+Na]+ 320.12572 171.0
[M-H]- 296.12922 175.4
[M+NH4]+ 315.17032 173.5
[M+K]+ 336.09966 168.9
[M+H-H2O]+ 280.13376 156.5
[M+HCOO]- 342.13470 188.0
[M+CH3COO]- 356.15035 205.5
[M+Na-2H]- 318.11117 170.8
[M]+ 297.13595 168.9
[M]- 297.13705 168.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe